# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/bf374d7c-ec0b-4829-b7eb-65d92ad59cef/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for SrTcN3 / C2/m (12) / materials id 989530](https://mdr.nims.go.jp/datasets/d73d11fe-5057-4d48-8f1f-507c6397e990) ## Fulltext elements: [Sr, Tc, N]cutoff: 8.0pair_type: gaussianfeature_type: gtinvmodel_type: 3max_p: 2max_l: 8gtinv_order: 3gtinv_maxl: [8, 8]gtinv_sym: [0, 0]gtinv_version: 1electrostatic: 0mass: [87.62, 99, 14.01]n_pair_params: 11pair_params:- [1.0, 0.0]- [1.0, 0.7777777777777778]- [1.0, 1.5555555555555556]- [1.0, 2.3333333333333335]- [1.0, 3.111111111111111]- [1.0, 3.888888888888889]- [1.0, 4.666666666666667]- [1.0, 5.444444444444445]- [1.0, 6.222222222222222]- [1.0, 7.0]- [0.0, 0.0]n_type_pairs: 6type_pairs:- atom_type_pair: [0, 0] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [0, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [0, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [1, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [2, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1, 2]n_coeffs: 38511coeffs: [3.350604601446438e+04, 5.571203155546315e+02, -4.552002121446573e+00, -3.658833507958898e+02, -1.725984039326597e+00, -8.189181376793045e-01, 0.000000000000000e+00, 0.000000000000000e+00, -3.047604225056895e+06, 0.000000000000000e+00, -7.297416848179433e+06, 0.000000000000000e+00, 4.928162058344273e+03, 4.166868828821173e+03, -5.657449934043590e+03, -4.996545116276772e+02, 1.187931151331230e+07, -2.096793540407094e+04, 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